methyl N-(2-ethyl-6-methylcyclohexyl)carbamate

C11H21NO2 — CID 130425408

IUPACmethyl N-(2-ethyl-6-methylcyclohexyl)carbamate
SMILESCCC1CCCC(C)C1NC(=O)OC
InChIInChI=1S/C11H21NO2/c1-4-9-7-5-6-8(2)10(9)12-11(13)14-3/h8-10H,4-7H2,1-3H3,(H,12,13)
InChIKeyVIVZUQFEQUPYCD-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.56
Rot. Bonds2

About methyl N-(2-ethyl-6-methylcyclohexyl)carbamate

methyl N-(2-ethyl-6-methylcyclohexyl)carbamate (PubChem CID 130425408) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl N-(2-ethyl-6-methylcyclohexyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-ethyl-6-methylcyclohexyl)carbamate
PubChem CID130425408
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl N-(2-ethyl-6-methylcyclohexyl)carbamate
SMILESCCC1CCCC(C)C1NC(=O)OC
InChIInChI=1S/C11H21NO2/c1-4-9-7-5-6-8(2)10(9)12-11(13)14-3/h8-10H,4-7H2,1-3H3,(H,12,13)
InChIKeyVIVZUQFEQUPYCD-UHFFFAOYSA-N
XLogP2.56
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;methyl N-(2-methylcyclopentyl)carbamate
CID 145397332
tert-butyl N-(2-ethylcyclopentyl)carbamate
CID 131075497
methyl N-(2-methylcyclohexyl)carbamate
CID 58423091
methyl N-[(1R,2S)-2-(hydroxymethyl)cyclopentyl]carbamate
CID 130640113
trans-(1R,2R)-2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 59166337
2-(methoxycarbonylamino)cyclopentane-1-carboxylic acid
CID 64817772
tert-butyl N-[2-[(2-ethylcyclohexyl)amino]cyclopentyl]carbamate
CID 107243819
tert-butyl N-[(1R,2S,6R)-2-(hydroxymethyl)-6-methoxycyclohexyl]carbamate
CID 169067980
methyl 2-(2-ethyl-6-methylcyclohexyl)-3-propylcyclohexane-1-carboxylate
CID 77431526
tert-butyl N-[3-[(2-methylcyclopentyl)methylamino]cyclobutyl]carbamate
CID 107417431
(2S)-2-ethylcyclopentane-1-carboxylic acid
CID 59114270
N-(2-ethylcyclopentyl)acetamide
CID 130891213

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-ethyl-6-methylcyclohexyl)carbamate?
The IUPAC name of methyl N-(2-ethyl-6-methylcyclohexyl)carbamate (CID 130425408) is methyl N-(2-ethyl-6-methylcyclohexyl)carbamate.
What is the SMILES notation for methyl N-(2-ethyl-6-methylcyclohexyl)carbamate?
The canonical SMILES for methyl N-(2-ethyl-6-methylcyclohexyl)carbamate is CCC1CCCC(C)C1NC(=O)OC.
What is the InChIKey of methyl N-(2-ethyl-6-methylcyclohexyl)carbamate?
The InChIKey is VIVZUQFEQUPYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-4-9-7-5-6-8(2)10(9)12-11(13)14-3/h8-10H,4-7H2,1-3H3,(H,12,13).
What are the key properties of methyl N-(2-ethyl-6-methylcyclohexyl)carbamate?
methyl N-(2-ethyl-6-methylcyclohexyl)carbamate has a molecular weight of 199.29 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-ethyl-6-methylcyclohexyl)carbamate is sourced from PubChem (CID 130425408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).